Geometry & MOs

Info

ID:	44225
PubChem CID:	10502082
Reduced:	ON7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	74.44
Dipole, Da:	6.09
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2N=C(NC#N)NC3=CN=C(C=C3)NC(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations